CID 212357

24234-06-8

Structural Information

Molecular Formula

C₁₃H₂₈N

SMILES

CCCCCC[N+]1(CCCCC1)CC

InChI

InChI=1S/C13H28N/c1-3-5-6-8-11-14(4-2)12-9-7-10-13-14/h3-13H2,1-2H3/q+1

InChIKey

LXQHIUBJRDWKHC-UHFFFAOYSA-N

Compound name

1-ethyl-1-hexylpiperidin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 470
Patents: 198.22217 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.22945	150.2
[M+Na]+	221.21139	153.6
[M-H]-	197.21489	151.0
[M+NH4]+	216.25599	170.0
[M+K]+	237.18533	146.2
[M+H-H2O]+	181.21943	146.6
[M+HCOO]-	243.22037	167.4
[M+CH3COO]-	257.23602	180.6
[M+Na-2H]-	219.19684	156.5
[M]+	198.22162	146.3
[M]-	198.22272	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe